MMsINC Database Search


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MMsINC code: MMs01387333

Type: Neutral
Formula: C₁₉H₁₈F₄N₂O₂

SMILES:

Fc1ccccc1C(=O)NC(C(C)C)C(=O)Nc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C19H18F4N2O2/c1-11(2)16(25-17(26)14-8-3-4-9-15(14)20)18(27)24-13-7-5-6-12(10-13)19(21,22)23/h3-11,16H,1-2H3,(H,24,27)(H,25,26)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.366 kcal/mol

Physical Properties
Molecular Weight: 382.357 g/mol	logS: -5.60972	SlogP: 4.5491	Reactive groups: 0

Topological Properties
Globularity: 0.111471	Sterimol/B1: 2.80953	Sterimol/B2: 3.09396	Sterimol/B3: 5.37078
Sterimol/B4: 6.90496	Sterimol/L: 17.3759

Surface and Volume Properties
Accessible surface: 611.841	Positive charged surface: 287.572	Negative charged surface: 324.269	Volume: 331.125
Hydrophobic surface: 417.386	Hydrophilic surface: 194.455

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.